title: Permeability and toxicological profile estimation of organochlorine compounds by biopartitioning micellar chromatography.
abstract: This paper points out the usefulness of biopartitioning micellar chromatography (BMC) as a high-throughput primary screening tool providing key information about the oral absorption, skin permeability (K(p)), brain-blood distribution coefficient (BB) and ecotoxicological parameters such as median lethal concentration (LC(50)) and bioconcentration factors of 15 organochloride compounds. The retention data of compounds in BMC conditions were interpolated in previously developed quantitative-retention activity relationships by our research group. Results show that the compounds studied readily cross the intestinal barrier (oral absorption > 90%) and the blood-brain barrier (log BB > 0.4). In addition, the organochlorines DDE, chlorobenzene, 1,3-dichlorobenzene and 1,2-dichlorobenzene are the compounds which can more quickly cross the skin barrier (log K(p ) > -0.74 cm/h). From a ecotoxicological point of view, it can be concluded that the most retained compounds, DDE, DDD, hexachlorobenzene and dicofol, are the most toxic and bioacumulative.
authors.affiliation: Departamento de Química Analítica, Universitat de València, C/ Vicente Andrés Estellés s/n, 46100-Burjassot, Valencia, Spain.
authors.forename: L
authors.initials: L
authors.lastname: Escuder-Gilabert
authors.forename: R M
authors.initials: RM
authors.lastname: Villanueva-Camañas
authors.forename: S
authors.initials: S
authors.lastname: Sagrado
authors.forename: M J
authors.initials: MJ
authors.lastname: Medina-Hernandez
mesh_terms: D000818:Animals; D001812:Blood-Brain Barrier / Q000378:metabolism*; D002845:Chromatography / Q000379:methods*; D006801:Humans; D006843:Hydrocarbons, Chlorinated / Q000493:pharmacokinetics* / Q000633:toxicity; D008954:Models, Biological; D010539:Permeability; D010575:Pesticides / Q000493:pharmacokinetics* / Q000633:toxicity; D012867:Skin / Q000378:metabolism*; D012984:Software
chemical_list: D006843:Hydrocarbons, Chlorinated; D010575:Pesticides